N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O2S/c1-17-9-10-20-21(18(17)2)24-23(29-20)26(22(27)19-7-4-3-5-8-19)12-6-11-25-13-15-28-16-14-25/h3-5,7-10H,6,11-16H2,1-2H3/p+1